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Diffstat (limited to 'config.sh')
-rw-r--r-- | config.sh | 27 |
1 files changed, 27 insertions, 0 deletions
diff --git a/config.sh b/config.sh new file mode 100644 index 000000000000..66e8db5ee27b --- /dev/null +++ b/config.sh @@ -0,0 +1,27 @@ +#================================================= +#=GA=Settings +#================================================= + +export USE_MPI=yes +export USE_MPIF=yes +export USE_MPIF4=yes + +export MPI_LOC=/usr/ #location of openmpi installation +export MPI_LIB=$MPI_LOC/lib/openmpi +export MPI_INCLUDE=$MPI_LOC/include/openmpi +export LIBMPI="-pthread -Wl,--enable-new-dtags -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi" + +#================================================= +#=NWChem=Settings +#================================================= + +export NWCHEM_MODULES="all python" +export NWCHEM_TOP=$(pwd) + +export PYTHONHOME=/usr +export PYTHONVERSION=2.7 +export PYTHONLIBTYPE=so +#export USE_PYTHON64=y + +export BLASOPT="-llapack -lblas" + |